3-Methoxybutyl butyrate
TL;DR: 3-Methoxybutyl butyrate (CAS 716-32-5) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl butanoate
Also Known As: 3-Methoxybutyl butyrate, 3-methoxybutyl butanoate, Benzene,[1-(1-methylethyl)cyclopropyl]-(9CI)
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 716-32-5 |
|---|---|
| SMILES | CCCC(=O)OCCC(C)OC |
| InChIKey | WXVYSRVGQYQCGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybutyl butyrate (CAS 716-32-5), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 3-methoxybutyl butanoate.
Chemical Property Profile of 3-Methoxybutyl butyrate
Property Insights of 3-Methoxybutyl butyrate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl butyrate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybutyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl butyrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxybutyl butyrate?
The CAS number of 3-Methoxybutyl butyrate is 716-32-5.
What is the molecular formula of 3-Methoxybutyl butyrate?
The molecular formula of 3-Methoxybutyl butyrate is C9H18O3.
What is the molecular weight of 3-Methoxybutyl butyrate?
The molecular weight of 3-Methoxybutyl butyrate is 174.13 g/mol.
Where can I buy 3-Methoxybutyl butyrate?
You can request a quote for 3-Methoxybutyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.